N-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide (IQB) Summary
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- N-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline sulfonamide (IQB) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 | 0.172 | Rigid Ring |
| 2 | C1.1-C10.10-C5.5-C4.43-4-9-0 C1.4-C10.5-C5.10-C4.1 | -0.089 | Rigid Ring |
| 3 | C1.1-C10.10-C5.5-C6.65-4-9-0 C1.6-C10.5-C5.10-C6.1 | -179.988 | Rigid Ring |
| 4 | C1.1-C10.10-C9.9-C8.87-8-9-0 C1.8-C10.9-C9.10-C8.1 | -179.928 | Rigid Ring |
| 5 | C1.1-S.11-N1'.14-C2'.1514-13-10-0 C1.15-S.14-N1'.11-C2'.1 | 78.035 | Flexible |
| 6 | C2.2-C1.1-C10.10-C5.54-9-0-1 C2.5-C1.10-C10.1-C5.2 | 0.105 | Rigid Ring |
| 7 | C2.2-C1.1-C10.10-C9.98-9-0-1 C2.9-C1.10-C10.1-C9.2 | 179.953 | Rigid Ring |
| 8 | C2.2-C1.1-S.11-O1.1211-10-0-1 C2.12-C1.11-S.1-O1.2 | 135.357 | Flexible |
| 9 | C2.2-C1.1-S.11-O2.1312-10-0-1 C2.13-C1.11-S.1-O2.2 | 4.633 | Flexible |
| 10 | C2.2-C1.1-S.11-N1'.1413-10-0-1 C2.14-C1.11-S.1-N1'.2 | -111.014 | Flexible |
| 11 | C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 | -0.153 | Rigid Ring |
| 12 | C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 | -179.99 | Rigid Ring |
| 13 | C3.3-C4.4-C5.5-C10.109-4-3-2 C3.10-C4.5-C5.4-C10.3 | 0.111 | Rigid Ring |
| 14 | C4.4-C5.5-C6.6-N7.76-5-4-3 C4.7-C5.6-C6.5-N7.4 | 179.945 | Rigid Ring |
| 15 | C4.4-C5.5-C10.10-C9.98-9-4-3 C4.9-C5.10-C10.5-C9.4 | -179.941 | Rigid Ring |
| 16 | C5.5-C6.6-N7.7-C8.87-6-5-4 C5.8-C6.7-N7.6-C8.5 | 0.066 | Rigid Ring |
| 17 | C5.5-C10.10-C9.9-C8.87-8-9-4 C5.8-C10.9-C9.10-C8.5 | -0.079 | Rigid Ring |
| 18 | C6.6-C5.5-C10.10-C9.98-9-4-5 C6.9-C5.10-C10.5-C9.6 | 0.16 | Rigid Ring |
| 19 | C6.6-N7.7-C8.8-C9.98-7-6-5 C6.9-N7.8-C8.7-C9.6 | 0.018 | Rigid Ring |
| 20 | N7.7-C6.6-C5.5-C10.109-4-5-6 N7.10-C6.5-C5.6-C10.7 | -0.155 | Rigid Ring |
| 21 | N7.7-C8.8-C9.9-C10.109-8-7-6 N7.10-C8.9-C9.8-C10.7 | -0.011 | Rigid Ring |
| 22 | C10.10-C1.1-C2.2-C3.32-1-0-9 C10.3-C1.2-C2.1-C3.10 | -0.147 | Rigid Ring |
| 23 | C10.10-C1.1-S.11-O1.1211-10-0-9 C10.12-C1.11-S.1-O1.10 | -44.316 | Flexible |
| 24 | C10.10-C1.1-S.11-O2.1312-10-0-9 C10.13-C1.11-S.1-O2.10 | -175.04 | Flexible |
| 25 | C10.10-C1.1-S.11-N1'.1413-10-0-9 C10.14-C1.11-S.1-N1'.10 | 69.314 | Flexible |
| 26 | S.11-C1.1-C2.2-C3.32-1-0-10 S.3-C1.2-C2.1-C3.11 | -179.828 | Rigid |
| 27 | S.11-C1.1-C10.10-C5.54-9-0-10 S.5-C1.10-C10.1-C5.11 | 179.776 | Rigid |
| 28 | S.11-C1.1-C10.10-C9.98-9-0-10 S.9-C1.10-C10.1-C9.11 | -0.376 | Rigid |
| 29 | S.11-N1'.14-C2'.15-C3'.1615-14-13-10 S.16-N1'.15-C2'.14-C3'.11 | 47.514 | Flexible |
| 30 | O1.12-S.11-N1'.14-C2'.1514-13-10-11 O1.15-S.14-N1'.11-C2'.12 | -168.192 | Flexible |
| 31 | O2.13-S.11-N1'.14-C2'.1514-13-10-12 O2.15-S.14-N1'.11-C2'.13 | -36.585 | Flexible |
| 32 | N1'.14-C2'.15-C3'.16-N4'.1716-15-14-13 N1'.17-C2'.16-C3'.15-N4'.14 | 116.08 | Flexible |
| 33 | C2'.15-C3'.16-N4'.17-C5'.1817-16-15-14 C2'.18-C3'.17-N4'.16-C5'.15 | -127.574 | Flexible |
| 34 | C3'.16-N4'.17-C5'.18-C6'.1918-17-16-15 C3'.19-N4'.18-C5'.17-C6'.16 | -52.803 | Flexible |
| 35 | N4'.17-C5'.18-C6'.19-C7'.2019-18-17-16 N4'.20-C5'.19-C6'.18-C7'.17 | 120.913 | Flexible |
| 36 | C5'.18-C6'.19-C7'.20-C1'.2120-19-18-17 C5'.21-C6'.20-C7'.19-C1'.18 | -179.932 | Rigid |
| 37 | C6'.19-C7'.20-C1'.21-C2B.2221-20-19-18 C6'.22-C7'.21-C1'.20-C2B.19 | -23.427 | Rigid |
| 38 | C6'.19-C7'.20-C1'.21-C6B.2726-20-19-18 C6'.27-C7'.21-C1'.20-C6B.19 | 156.519 | Rigid |
| 39 | C7'.20-C1'.21-C2B.22-C3B.2322-21-20-19 C7'.23-C1'.22-C2B.21-C3B.20 | 179.899 | Rigid |
| 40 | C7'.20-C1'.21-C6B.27-C5B.2625-26-20-19 C7'.26-C1'.27-C6B.21-C5B.20 | -179.963 | Rigid |
| 41 | C1'.21-C2B.22-C3B.23-C4'.2423-22-21-20 C1'.24-C2B.23-C3B.22-C4'.21 | 0.074 | Rigid Ring |
| 42 | C1'.21-C6B.27-C5B.26-C4'.2423-25-26-20 C1'.24-C6B.26-C5B.27-C4'.21 | 0.052 | Rigid Ring |
| 43 | C2B.22-C1'.21-C6B.27-C5B.2625-26-20-21 C2B.26-C1'.27-C6B.21-C5B.22 | -0.015 | Rigid Ring |
| 44 | C2B.22-C3B.23-C4'.24-BR4'.2524-23-22-21 C2B.25-C3B.24-C4'.23-BR4'.22 | 179.779 | Rigid |
| 45 | C2B.22-C3B.23-C4'.24-C5B.2625-23-22-21 C2B.26-C3B.24-C4'.23-C5B.22 | -0.037 | Rigid Ring |
| 46 | C3B.23-C2B.22-C1'.21-C6B.2726-20-21-22 C3B.27-C2B.21-C1'.22-C6B.23 | -0.048 | Rigid Ring |
| 47 | C3B.23-C4'.24-C5B.26-C6B.2726-25-23-22 C3B.27-C4'.26-C5B.24-C6B.23 | -0.026 | Rigid Ring |
| 48 | BR4'.25-C4'.24-C5B.26-C6B.2726-25-23-24 BR4'.27-C4'.26-C5B.24-C6B.25 | -179.843 | Rigid |
Dihedrals Histogram